BDBM17636 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid::Arlef::CHEMBL23588::Flufenamic acid::Nichisedan::US20240002326, Compound Flufenamic acid::US9271961, Flufenamic Acid

SMILES OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F

InChI Key InChIKey=LPEPZBJOKDYZAD-UHFFFAOYSA-N

Data  3 KI  43 IC50  5 Kd  9 EC50

PDB links: 9 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 60 hits for monomerid = 17636   

TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 530nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C1(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 2.64E+3nMAssay Description:Inhibition of AKR1C1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 2.90E+3nMpH: 4.4Assay Description:Inhibition of human transthyretin fibril formation at pH 4.4 after 72 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 2.23E+3nMAssay Description:Inhibition of recombinant COX1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 20nMAssay Description:Inhibition of recombinant COX2More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 370nMAssay Description:Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 2(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 16nMAssay Description:Inhibition of COX2 expressed in baculovirus infected SF-21 cells assessed as formation of PGH2 from PGG2 using arachidonic acid as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium channel subfamily K member 18(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50: >1.00E+5nMAssay Description:Activation of human TRESK channel relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome c oxidase subunit 2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 8.63E+3nMAssay Description:Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 (DE) using [14C]androstenedione as substrate in presence of NADPH generatin...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Sheep)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 530nMAssay Description:Inhibition of AKR1C2 (unknown origin) using S-tetralol as substrate by by fluorimteryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 440nMAssay Description:Inhibition of AKR1C3 (unknown origin) using S-tetralol as substrate in presence of NADP+ by fluorimteryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 440nMAssay Description:Inhibition of recombinant N-terminal GST-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 3.14E+3nMAssay Description:Inhibition of AKR1C2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B10(Human)
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 760nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 (DE3) pLysS cells by pyridine-3-aldehyde reductase ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member B10(Human)
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 9.60E+4nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubate...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  6.92E+3nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  7.00E+3nMAssay Description:Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  2.40E+4nMAssay Description:Agonist activity at human TRPA1 in WI38 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscriptional enhancer factor TEF-3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  7.30E+4nMAssay Description:Binding affinity to N-terminal His6 tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells incubated for 30 mins by i...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscriptional enhancer factor TEF-3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  8.40E+4nMAssay Description:Binding affinity to N-terminal His6 tagged human TEAD4-YBD (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by SPR analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscriptional enhancer factor TEF-3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells assessed redu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscriptional enhancer factor TEF-3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  7.30E+4nMAssay Description:Binding affinity to N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by ITC ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTransthyretin(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  30nMAssay Description:Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopyMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 7.00E+4nMAssay Description:Inhibition of human TRPM2 expressed in HEK293T cells assessed as blocked of ADPR-activated current by whole cell patch clamp electrophysiologyMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTranscription factor SOX-18(Human)
University of Queensland

US Patent
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 2.20E+5nMAssay Description:Different concentration ranges were tested in the FP-based DNA binding competition assay (0.2-200 uM, 10-500 uM, 10 uM-3 mM), with DMSO concentration...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetTranscriptional enhancer factor TEF-3(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataKd:  7.30E+4nMAssay Description:Binding affinity to His-tagged TEAD4 YAP-binding domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by isot...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetTaste receptor type 2 member 14(Human)
Friedrich-Alexander-Universitat Erlangen-Nurnberg

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  430nMAssay Description:Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 accumulation measured after 150 mins by IP1 accumulation assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 410nMAssay Description:Inhibition of AKR1C3 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAndrogen receptor(Human)
St. Jude Research Hospital

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  6.70E+4nMAssay Description:A radiolabeled ligand competition scintillation proximity assay (SPA) for the androgen receptor (AR) using Ni-coated 384-well FlashPlates. It measure...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 1.65E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 51nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 630nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 370nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C1(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 980nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 2.23E+3nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetProstaglandin G/H synthase 2(Human)
Perelman School of Medicine University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 16nMAssay Description:Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetTranscription factor SOX-18(Mouse)
The University of Queensland

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 2.20E+5nMpH: 7.5 T: 2°CAssay Description:The DNA-binding competition assay was performed in 25 μL, in black 384-well plates, using either 30 mM HEPES (N-2-Hydroxyethylpiperazine-N'-2-Etha...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro inhibition of rabbit lens aldose reductase.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 51nMAssay Description:Inhibition of AKR1C3 by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 4.10E+4nMAssay Description:Inhibition of human AR by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member B10(Human)
University of Hradec Kralove

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 760nMAssay Description:Inhibition of wild-type N-terminal 6-His tagged AKR1B10 (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAcid-sensing ion channel 5(Rat)
Rwth Aachen University

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  2.60E+6nMAssay Description:Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPotassium channel subfamily K member 2(Human)
University of Clermont Auvergne

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataEC50:  1.00E+5nMAssay Description:Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 370nMAssay Description:Inhibition of AKR1C2 by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAndrogen receptor(Human)
St. Jude Research Hospital

LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 5.00E+4nMAssay Description:Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric ana...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAldo-keto reductase family 1 member C4(Human)
University of Auckland

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAldo-keto reductase family 1 member C2(Human)
University of Torino

Curated by ChEMBL
LigandPNGBDBM17636(2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)
Affinity DataIC50: 3.14E+3nMAssay Description:Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
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